MMsINC Database Search


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MMsINC code: MMs00701873

Type: Neutral
Formula: C₂₆H₂₄N₂O

SMILES:

O=C(Nc1ccc(cc1)CC)c1cc(nc2c1cccc2)-c1cc(C)c(cc1)C

InChI:

InChI=1/C26H24N2O/c1-4-19-10-13-21(14-11-19)27-26(29)23-16-25(20-12-9-17(2)18(3)15-20)28-24-8-6-5-7-22(23)24/h5-16H,4H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.537 kcal/mol

Physical Properties
Molecular Weight: 380.491 g/mol	logS: -8.27557	SlogP: 6.33331	Reactive groups: 0

Topological Properties
Globularity: 0.015751	Sterimol/B1: 2.47559	Sterimol/B2: 3.76874	Sterimol/B3: 4.8523
Sterimol/B4: 8.78591	Sterimol/L: 19.8084

Surface and Volume Properties
Accessible surface: 698.005	Positive charged surface: 400.377	Negative charged surface: 285.743	Volume: 388.125
Hydrophobic surface: 623.785	Hydrophilic surface: 74.22

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.